Module wafer::grid[−][src]

The meat of the calculation is performed on a finite grid. Basically all of the computation work is done within this module.

Re-exports

use config;

use config::CentralDifference;

use config::Config;

use config::Index3;

use config::InitialCondition;

use errors::*;

use indicatif::ProgressBar;

use indicatif::ProgressStyle;

use input;

use ndarray::Array3;

use ndarray::ArrayView3;

use ndarray::ArrayViewMut3;

use ndarray::Zip;

use ndarray_parallel::prelude::*;

use noisy_float::prelude::*;

use output;

use potential;

use potential::Potentials;

use slog::Logger;

use std::f64::MAX;

Holds all computed observables for the current wavefunction.

compute_observables	Computes observable values of the system, for example the energy
eta	Estimates completion time for the convergence of the current wavefunction.
evolve	Evolves the solution a number of `steps`
get_mut_work_area	Shortcut to getting a mutable slice of the workable area of the current array. In other words, the finite element only cells are removed
get_norm_squared	Calculate the normalisation condition of a wavefunction. The square root portion of this calculation happens later as we sometimes require just this condition.
get_work_area	Shortcut to getting a slice of the workable area of the current array. In other words, the finite element only cells are removed
normalise_wavefunction	Normalisation of the wavefunction
orthogonalise_wavefunction	Uses Gram Schmidt orthogonalisation to identify the next excited state's wavefunction, even if it's degenerate
run	Runs the calculation and holds long term (system time) wavefunction storage
solve	Runs the actual computation once system is setup and ready.